[gmx-users] adding NaCl to water box

[David]

On Tue, 2004-01-13 at 21:31, Madhuri Agashe wrote:
> I am trying to add some charged ions to the water in my existing system.
> My requirement is to add 7 Na and 7 Cl ions to the system. 
> How do I do it?
> 
> Is it possible for me to modify .gro, .itp and .top files of my existing
> water box system to replace randomly selected water molecules with Na/Cl
> directly?
genion -random (+ other flags)
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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